Mephentermine

CAS Number: 100-92-5
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CC(C)(Cc1ccccc1)NC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H17N
Molecular Weight
163.263
Drug-likeness
1.1672
CAS
100-92-5
InChI key
RXQCGGRTAILOIN-UHFFFAOYSA-N
SMILES
CC(C)(Cc1ccccc1)NC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 100-92-5
Molecule Name Mephentermine
Molecular Formula C11H17N
SMILES CC(C)(Cc1ccccc1)NC
InChI InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChI Key RXQCGGRTAILOIN-UHFFFAOYSA-N
CanonicalSyTyLFy 8b9ee7a5f2d79818
TotalMolweight 163.263
Molecular Weight 163.263
MonoisotopicMass 163.136099
CLogP 2.186
CLogS -2.091
H Acceptors 1
H Donors 1
TotalSurfaceArea 145.67
Relative PSA 0.078671
PolarSurfaceArea 12.03
Drug-likeness 1.1672
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.62855
Molecular Complexity 0.49929
Fragments 1
Non HAtoms 12
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1

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